[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite

C10H13FS — CID 155135111

IUPAC[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
SMILESC=C/C(C=C(C)C)=C(/C=C)SF
InChIInChI=1S/C10H13FS/c1-5-9(7-8(3)4)10(6-2)12-11/h5-7H,1-2H2,3-4H3/b10-9+
InChIKeyIKEIKQDMGBUKEN-MDZDMXLPSA-N
MW184.28 g/mol
LogP4.20
Rot. Bonds4

About [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite

[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite (PubChem CID 155135111) has the molecular formula C10H13FS and a molecular weight of 184.28 g/mol. Its IUPAC name is [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
PubChem CID155135111
Molecular FormulaC10H13FS
Molecular Weight184.28 g/mol
Exact Mass184.07
IUPAC Name[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
SMILESC=C/C(C=C(C)C)=C(/C=C)SF
InChIInChI=1S/C10H13FS/c1-5-9(7-8(3)4)10(6-2)12-11/h5-7H,1-2H2,3-4H3/b10-9+
InChIKeyIKEIKQDMGBUKEN-MDZDMXLPSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The IUPAC name of [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite (CID 155135111) is [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite.
What is the SMILES notation for [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The canonical SMILES for [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite is C=C/C(C=C(C)C)=C(/C=C)SF.
What is the InChIKey of [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
The InChIKey is IKEIKQDMGBUKEN-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H13FS/c1-5-9(7-8(3)4)10(6-2)12-11/h5-7H,1-2H2,3-4H3/b10-9+.
What are the key properties of [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite?
[(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite has a molecular weight of 184.28 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-ethenyl-6-methylhepta-1,3,5-trien-3-yl] thiohypofluorite is sourced from PubChem (CID 155135111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).